4-[[5,6-dichloro-3-methyl-2-(4-phenylmethoxyphenyl)iminobenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide

C30H24Cl2N8O2 — CID 58875277

IUPAC4-[[5,6-dichloro-3-methyl-2-(4-phenylmethoxyphenyl)iminobenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCn1/c(=N\c2ccc(OCc3ccccc3)cc2)n(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C30H24Cl2N8O2/c1-39-26-15-24(31)25(32)16-27(26)40(17-19-7-9-21(10-8-19)28(41)34-29-35-37-38-36-29)30(39)33-22-11-13-23(14-12-22)42-18-20-5-3-2-4-6-20/h2-16H,17-18H2,1H3,(H2,34,35,36,37,38,41)/b33-30+
InChIKeyDREDUZFUXVMCLM-KKYHWDRJSA-N
MW599.48 g/mol
LogP5.91
Rot. Bonds8

About 4-[[5,6-dichloro-3-methyl-2-(4-phenylmethoxyphenyl)iminobenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide

4-[[5,6-dichloro-3-methyl-2-(4-phenylmethoxyphenyl)iminobenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 58875277) has the molecular formula C30H24Cl2N8O2 and a molecular weight of 599.48 g/mol. Its IUPAC name is 4-[[5,6-dichloro-3-methyl-2-(4-phenylmethoxyphenyl)iminobenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[[5,6-dichloro-3-methyl-2-(4-phenylmethoxyphenyl)iminobenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
PubChem CID58875277
Molecular FormulaC30H24Cl2N8O2
Molecular Weight599.48 g/mol
Exact Mass598.14
IUPAC Name4-[[5,6-dichloro-3-methyl-2-(4-phenylmethoxyphenyl)iminobenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCn1/c(=N\c2ccc(OCc3ccccc3)cc2)n(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C30H24Cl2N8O2/c1-39-26-15-24(31)25(32)16-27(26)40(17-19-7-9-21(10-8-19)28(41)34-29-35-37-38-36-29)30(39)33-22-11-13-23(14-12-22)42-18-20-5-3-2-4-6-20/h2-16H,17-18H2,1H3,(H2,34,35,36,37,38,41)/b33-30+
InChIKeyDREDUZFUXVMCLM-KKYHWDRJSA-N
XLogP5.91
TPSA115.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.48
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[5,6-dichloro-2-(3,4-dichlorophenyl)imino-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 11168984
4-[[2-(3,5-dichlorophenyl)imino-6-methoxy-3-methylbenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 11306983
4-[[2-(4-tert-butylphenyl)imino-3-methyl-4-propoxy-6-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 11444850
N-(2-chlorophenyl)-4-phenylmethoxybenzamide
CID 1121131
N-methyl-4-phenylmethoxybenzamide
CID 2996745
methyl 4-[[2-chloro-5-(2H-tetrazol-5-ylcarbamoyl)imidazol-1-yl]methyl]benzoate
CID 139628268
3,4-dichloro-N-[(2S)-1-(4-phenylmethoxyphenyl)propan-2-yl]benzamide
CID 70988226
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
N-(6-methyl-2-pyridinyl)-4-phenylmethoxybenzamide
CID 35036020
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide
CID 5192520

Frequently Asked Questions

What is the IUPAC name of 4-[[5,6-dichloro-3-methyl-2-(4-phenylmethoxyphenyl)iminobenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-[[5,6-dichloro-3-methyl-2-(4-phenylmethoxyphenyl)iminobenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide (CID 58875277) is 4-[[5,6-dichloro-3-methyl-2-(4-phenylmethoxyphenyl)iminobenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-[[5,6-dichloro-3-methyl-2-(4-phenylmethoxyphenyl)iminobenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-[[5,6-dichloro-3-methyl-2-(4-phenylmethoxyphenyl)iminobenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide is Cn1/c(=N\c2ccc(OCc3ccccc3)cc2)n(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)c2cc(Cl)c(Cl)cc21.
What is the InChIKey of 4-[[5,6-dichloro-3-methyl-2-(4-phenylmethoxyphenyl)iminobenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is DREDUZFUXVMCLM-KKYHWDRJSA-N. The full InChI is InChI=1S/C30H24Cl2N8O2/c1-39-26-15-24(31)25(32)16-27(26)40(17-19-7-9-21(10-8-19)28(41)34-29-35-37-38-36-29)30(39)33-22-11-13-23(14-12-22)42-18-20-5-3-2-4-6-20/h2-16H,17-18H2,1H3,(H2,34,35,36,37,38,41)/b33-30+.
What are the key properties of 4-[[5,6-dichloro-3-methyl-2-(4-phenylmethoxyphenyl)iminobenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide?
4-[[5,6-dichloro-3-methyl-2-(4-phenylmethoxyphenyl)iminobenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 599.48 g/mol, XLogP of 5.91, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5,6-dichloro-3-methyl-2-(4-phenylmethoxyphenyl)iminobenzimidazol-1-yl]methyl]-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 58875277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).